ethyl 5-[5-azanyl-3-(4-tert-butylphenyl)pyrazol-1-yl]sulfonyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 5-[5-azanyl-3-(4-tert-butylphenyl)pyrazol-1-yl]sulfonyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-[5-amino-3-(4-tert-butylphenyl)pyrazol-1-yl]sulfonyl-3-methyl-benzofuran-2-carboxylate CAS Name: 5-[[5-amino-3-(4-tert-butylphenyl)-1-pyrazolyl]sulfonyl]-3-methyl-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[5-amino-3-(4-tert-butylphenyl)pyrazol-1-yl]sulfonyl-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-[5-amino-3-(4-tert-butylphenyl)pyrazol-1-yl]sulfonyl-3-methyl-coumarilic acid ethyl ester Formula: C25H27N3O5S MolecularWeight: 481.56398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)S(=O)(=O)N3C(=CC(=N3)C4=CC=C(C=C4)C(C)(C)C)N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)S(=O)(=O)N3C(=CC(=N3)C4=CC=C(C=C4)C(C)(C)C)N)C

InChI

InChI=1S/C25H27N3O5S/c1-6-32-24(29)23-15(2)19-13-18(11-12-21(19)33-23)34(30,31)28-22(26)14-20(27-28)16-7-9-17(10-8-16)25(3,4)5/h7-14H,6,26H2,1-5H3